SCHEMBL29756282

SCHEMBL29756282

Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 15/20 0.51
MKNK2 Q9HBH9 15/20 0.51
EIF4E P06730 10/20 0.51
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 1/20 0.42
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
CLK2 P49760 1/20 0.41
CSNK1G2 P78368 1/20 0.41
MAP4K2 Q12851 1/20 0.41
ROCK1 Q13464 1/20 0.41
NTRK3 Q16288 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16621331 1.00 MKNK1 (0.51) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL17969595 0.91 MKNK1 (0.51) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL24520094 0.90 MKNK1 (0.50) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL16625848 0.90 MKNK1 (0.55) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL16621447 0.88 MKNK1 (0.49) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL19841344 0.88 MKNK1 (0.48) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL16620611 0.88 MKNK1 (0.53) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL17998760 0.86 MKNK1 (0.51) MKNK1MKNK2EIF4EKCNH2CYP3A4
SCHEMBL18012832 0.86 MKNK1 (0.51) MKNK1MKNK2PLK4JAK2MAP4K4
SCHEMBL16620931 0.86 MKNK1 (0.49) MKNK1MKNK2EIF4EPLK4JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed